6-Heptenoic acid,7-[4-(3,5-dimethylphenyl)-2-(1-methylethyl)-3-quinolinyl]-3,5-dihydroxy-,sodium salt (1:1) structure

3D Mol Similar

6-Heptenoic acid,7-[4-(3,5-dimethylphenyl)-2-(1-methylethyl)-3-quinolinyl]-3,5-dihydroxy-,sodium salt (1:1)

Iupac Name：calcium;dichloride

CAS No.: 10043-52-4

Molecular Weight：110.984

Modify Date.: 2022-03-10 11:30

Request For Quotation

1. Names and Identifiers

1.1 Name: 6-Heptenoic acid,7-[4-(3,5-dimethylphenyl)-2-(1-methylethyl)-3-quinolinyl]-3,5-dihydroxy-,sodium salt (1:1)
1.2 Synonyms: 6-Heptenoicacid, 7-[4-(3,5-dimethylphenyl)-2-(1-methylethyl)-3-quinolinyl]-3,5-dihydroxy-,monosodium salt (9CI)

1.3 CAS No.: 10043-52-4

1.4 CID: 5284359

1.5 Molecular Formula: C₁₆H₁₈BrNO₂ (isomer)

1.6 Inchi: InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2

1.7 InChkey: UXVMQQNJUSDDNG-UHFFFAOYSA-L

1.8 Canonical Smiles: [Cl-].[Cl-].[Ca+2]

1.9 Isomers Smiles: [Cl-].[Cl-].[Ca+2]

2. Properties

3.1 Density: 1.92

3.1 Melting point: 782℃

3.1 Boiling point: 429.9±45.0 °C at 760 mmHg (Predicted)

3.1 Refractive index: n20/D 1.358

3.1 Vapour pressure: 0.01 mm Hg ( 20 °C)

3.1 Precise Quality: 109.90000

3.1 PSA: 0.00000

3.1 logP: 1.37900

3. Safety and Handling

4.1 Symbol: GHS07;

4.1 Signal Word: Warning

4.1 Risk Statements: R36

4.1 Safety Statements: S22;S24

4.1 Hazard Declaration: H319

4.1 RIDADR: UN 1789 8/PG 3

4.1 Caution Statement: P305 + P351 + P338

4.1 WGK Germany: 1

4.1 RTECS: EV9810000

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H319 Causes serious eye irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection.
Response	P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention.
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

View all

5. Computational chemical data

Molecular Weight: 110.984g/mol
Molecular Formula: C_₁₆H_₁₈BrNO_₂
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 109.9002962
Monoisotopic Mass: 109.9002962
Complexity: 0
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 0
Heavy Atom Count: 3
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 3
CACTVS Substructure Key Fingerprint: AAADcQAAAAAGAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

6. Question & Answer

Why is the enthalpy of solution of hydrated calcium chloride positive? Apr 25 2022
My book says that the enthalpy of solution of anhydrous calcium chloride is negative because it produces hydrated calcium chloride. But when hydrated calcium chloride is dissolved in water, the enthalpy turns out to be positive because it is already hydrated. What I don't understand here is: if it ...
If the sample contains 5g of a calcium chloride, how many moles of calcium chloride are in the sample? Apr 08 2022
Given: mass of CaCl2= 5g; molar mass of CaCl2 = 110g/mole Solution: number of mole= Mass of CaCl2 /molar mass CaCl2 number of mole = 5g CaCl2/110g-mole = 0.045 mole CaCl2
Is the aqueous solution of CaCl2 basic? Apr 08 2022
The easiest way to approach this problem is to separate this salt into its ionic constituent when solvated. This will yield Ca +2 ion and Cl- ion. Now, ask your self, where do these ions originate from in terms of acids and bases? Well, we know cations from group 1 and 2 on the periodic table form ...
What happens when anhydrous calcium chloride is exposed to air for some time? Mar 31 2022
Calcium chloride is deliquescent. If exposed to air, it will absorb sufficient water from the air to allow it to dissolve. After a short while, instead of a white lump, you will have a pool of clear liquid.

8. Realated Product Infomation

121661-29-8 6-Heptenoic acid,3,5-dihydroxy-7-[2-(1-methylethyl)-4-[4-(trifluoromethyl)phenyl]-3-quinolinyl]-,sodium salt (1:1)

121661-30-1 6-Heptenoic acid,7-[4-(4-fluoro-3-methylphenyl)-2-(1-methylethyl)-3-quinolinyl]-3,5-dihydroxy-,sodium salt (1:1)

121661-28-7 6-Heptenoic acid,7-[6-chloro-4-(2-chlorophenyl)-2-(1-methylethyl)-3-quinolinyl]-3,5-dihydroxy-,sodium salt (1:1)

727646-48-2 6-Heptenoic acid, 7-[4-(3,5-dimethylphenyl)-2-(1-methylethyl)-3-quinolinyl]-3,5-dihydroxy-

121661-35-6 6-Heptenoic acid,7-(6-chloro-2,4-diphenyl-3-quinolinyl)-3,5-dihydroxy-, sodium salt (1:1)

121661-32-3 6-Heptenoic acid,7-[2-ethyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-, sodium salt (1:1)

118175-21-6 6-Heptenoic acid,7-[4-(4-fluorophenyl)-2-(1-methylethyl)-3-quinolinyl]-3,5-dihydroxy-,monosodium salt, (3R,5S,6E)-rel-

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